Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.33 |
| ▸ | PGK1 | P00558 | 1/20 | 0.33 |
| ▸ | PGK2 | P07205 | 1/20 | 0.33 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14017919 | 1.00 | CYP2A6 (0.39) | CYP2A6ALDH1A1LMNAMAPTHPGD | |
| SCHEMBL14030081 | 0.86 | ALDH1A1 (0.42) | CYP2A6ALDH1A1LMNAMAPTHPGD | |
| SCHEMBL1572876 | 0.86 | ALDH1A1 (0.42) | CYP2A6ALDH1A1LMNAMAPTHPGD | |
| SCHEMBL28027680 | 0.83 | FFAR4 (0.39) | CYP2A6ALDH1A1HPGDSMN1; SMN2MAOA | |
| SCHEMBL12944934 | 0.81 | CYP2A6 (0.38) | CYP2A6MAOAMAOBERN1PGK1 | |
| SCHEMBL26049058 | 0.81 | ERN1 (0.39) | CYP2A6MAPTMAOAMAOBPTGS2 | |
| SCHEMBL501537 | 0.81 | CYP2A6 (0.38) | CYP2A6ALDH1A1SMN1; SMN2MAOAMAOB | |
| SCHEMBL10823005 | 0.80 | PTGS2 (0.36) | PTGS2PTGS1ALOX5PGK1PGK2 | |
| SCHEMBL16952580 | 0.78 | PTGS2 (0.39) | PTGS2PTGS1ALOX5PGK1PGK2 | |
| SCHEMBL395723 | 0.78 | TP53 (0.43) | ALDH1A1PTGS2PTGS1ALOX5 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |